N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine

C12H13F3N4 — CID 117167496

IUPACN-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
SMILESCNCCc1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C12H13F3N4/c1-16-7-6-9-8-19(18-17-9)11-5-3-2-4-10(11)12(13,14)15/h2-5,8,16H,6-7H2,1H3
InChIKeyUDGZYCWTQAKQIZ-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.05
Rot. Bonds4

About N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine

N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine (PubChem CID 117167496) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
PubChem CID117167496
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
SMILESCNCCc1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C12H13F3N4/c1-16-7-6-9-8-19(18-17-9)11-5-3-2-4-10(11)12(13,14)15/h2-5,8,16H,6-7H2,1H3
InChIKeyUDGZYCWTQAKQIZ-UHFFFAOYSA-N
XLogP2.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine (CID 117167496) is N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine is CNCCc1cn(-c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
The InChIKey is UDGZYCWTQAKQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-16-7-6-9-8-19(18-17-9)11-5-3-2-4-10(11)12(13,14)15/h2-5,8,16H,6-7H2,1H3.
What are the key properties of N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine has a molecular weight of 270.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 117167496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).